4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine

C38H49ClF6N10O2 — CID 157106762

IUPAC4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine
SMILESC1COCCN1.FCc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.FCc1ccn(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C19H24F3N5O.C15H16ClF3N4.C4H9NO/c20-13-15-3-6-27(25-15)18-12-16(26-7-9-28-10-8-26)11-17(24-18)23-14-1-4-19(21,22)5-2-14;16-10-7-13(20-11-1-4-15(18,19)5-2-11)21-14(8-10)23-6-3-12(9-17)22-23;1-3-6-4-2-5-1/h3,6,11-12,14H,1-2,4-5,7-10,13H2,(H,23,24);3,6-8,11H,1-2,4-5,9H2,(H,20,21);5H,1-4H2
InChIKeyAGJRIQZUWBPFRA-UHFFFAOYSA-N
MW827.32 g/mol
LogP7.55
Rot. Bonds9

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine

4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine (PubChem CID 157106762) has the molecular formula C38H49ClF6N10O2 and a molecular weight of 827.32 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine.

Molecular Properties

Compound Name4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine
PubChem CID157106762
Molecular FormulaC38H49ClF6N10O2
Molecular Weight827.32 g/mol
Exact Mass826.36
IUPAC Name4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine
SMILESC1COCCN1.FCc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.FCc1ccn(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C19H24F3N5O.C15H16ClF3N4.C4H9NO/c20-13-15-3-6-27(25-15)18-12-16(26-7-9-28-10-8-26)11-17(24-18)23-14-1-4-19(21,22)5-2-14;16-10-7-13(20-11-1-4-15(18,19)5-2-11)21-14(8-10)23-6-3-12(9-17)22-23;1-3-6-4-2-5-1/h3,6,11-12,14H,1-2,4-5,7-10,13H2,(H,23,24);3,6-8,11H,1-2,4-5,9H2,(H,20,21);5H,1-4H2
InChIKeyAGJRIQZUWBPFRA-UHFFFAOYSA-N
XLogP7.55
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.32
LogP ≤ 57.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine with MolForge

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Related Compounds

N-[(E)-[5-[3-chloro-5-[5-[4-[2-[(2E)-2-[[5-[3-chloro-5-(5-methylpyrazolidin-1-yl)anilino]-2-pyridinyl]methylidene]hydrazinyl]-5-fluoropyrimidin-4-yl]morpholin-2-yl]pyrazolidin-1-yl]anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 130197442
N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine
CID 132206968
N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyridin-4-amine
CID 132207388
N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)-4-morpholin-4-ylpyridin-2-amine
CID 132207429
N-(4-chlorophenyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 132210715
N-(4-chlorophenyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 132210797
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine
CID 157328774
2-chloro-N-(4,4-difluorocyclohexyl)-6-morpholin-4-ylpyridin-4-amine;4-(6-chloro-4-iodo-2-pyridinyl)morpholine;2,6-dichloro-4-iodopyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyridin-4-amine;5-methyl-1H-pyrazole;morpholine;hydrochloride
CID 157586020
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 158423289
2-Chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline;4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
CID 158660328
4-aminochloranuidyl-1,1-difluorocyclohexane;4-[6-chloro-4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]morpholine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyridin-2-amine
CID 158682591
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole
CID 158759879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine?
The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine (CID 157106762) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine.
What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine?
The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine is C1COCCN1.FCc1ccn(-c2cc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.FCc1ccn(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine?
The InChIKey is AGJRIQZUWBPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O.C15H16ClF3N4.C4H9NO/c20-13-15-3-6-27(25-15)18-12-16(26-7-9-28-10-8-26)11-17(24-18)23-14-1-4-19(21,22)5-2-14;16-10-7-13(20-11-1-4-15(18,19)5-2-11)21-14(8-10)23-6-3-12(9-17)22-23;1-3-6-4-2-5-1/h3,6,11-12,14H,1-2,4-5,7-10,13H2,(H,23,24);3,6-8,11H,1-2,4-5,9H2,(H,20,21);5H,1-4H2.
What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine?
4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine has a molecular weight of 827.32 g/mol, XLogP of 7.55, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-[3-(fluoromethyl)pyrazol-1-yl]-4-morpholin-4-ylpyridin-2-amine;morpholine is sourced from PubChem (CID 157106762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).